(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride

C18H24ClN5O3 — CID 120786907

IUPAC(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H](CN)O2)c1)n1cccn1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-12(23-9-3-8-20-23)17(24)21-13-4-2-5-14(10-13)22-18(25)16-7-6-15(11-19)26-16;/h2-5,8-10,12,15-16H,6-7,11,19H2,1H3,(H,21,24)(H,22,25);1H/t12?,15-,16+;/m1./s1
InChIKeyRPOPNBPDSFDKLF-FMOWPHLWSA-N
MW393.88 g/mol
LogP1.95
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120786907) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120786907
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H](CN)O2)c1)n1cccn1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-12(23-9-3-8-20-23)17(24)21-13-4-2-5-14(10-13)22-18(25)16-7-6-15(11-19)26-16;/h2-5,8-10,12,15-16H,6-7,11,19H2,1H3,(H,21,24)(H,22,25);1H/t12?,15-,16+;/m1./s1
InChIKeyRPOPNBPDSFDKLF-FMOWPHLWSA-N
XLogP1.95
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]oxolane-2-carboxamide
CID 120798080
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CID 120785329
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180632
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 43068723
(2S,5R)-5-(aminomethyl)-N-(3-methylsulfanylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782725
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
(2S,5R)-5-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120786907) is (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride is CC(C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H](CN)O2)c1)n1cccn1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is RPOPNBPDSFDKLF-FMOWPHLWSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c1-12(23-9-3-8-20-23)17(24)21-13-4-2-5-14(10-13)22-18(25)16-7-6-15(11-19)26-16;/h2-5,8-10,12,15-16H,6-7,11,19H2,1H3,(H,21,24)(H,22,25);1H/t12?,15-,16+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120786907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).